6,15-difluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione

C18H14F2O2S2 — CID 123783260

IUPAC6,15-difluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione
SMILESCC1C2C(=O)c3cc(F)sc3C2C(C)C2C(=O)c3cc(F)sc3C12
InChIInChI=1S/C18H14F2O2S2/c1-5-11-14(18-7(15(11)21)3-10(20)24-18)6(2)12-13(5)17-8(16(12)22)4-9(19)23-17/h3-6,11-14H,1-2H3
InChIKeyWTJJQPFZGYWOIB-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.87
Rot. Bonds

About 6,15-difluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione

6,15-difluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione (PubChem CID 123783260) has the molecular formula C18H14F2O2S2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 6,15-difluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione.

Molecular Properties

Compound Name6,15-difluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione
PubChem CID123783260
Molecular FormulaC18H14F2O2S2
Molecular Weight364.44 g/mol
Exact Mass364.04
IUPAC Name6,15-difluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione
SMILESCC1C2C(=O)c3cc(F)sc3C2C(C)C2C(=O)c3cc(F)sc3C12
InChIInChI=1S/C18H14F2O2S2/c1-5-11-14(18-7(15(11)21)3-10(20)24-18)6(2)12-13(5)17-8(16(12)22)4-9(19)23-17/h3-6,11-14H,1-2H3
InChIKeyWTJJQPFZGYWOIB-UHFFFAOYSA-N
XLogP4.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,15-difluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,15-difluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione?
The IUPAC name of 6,15-difluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione (CID 123783260) is 6,15-difluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione.
What is the SMILES notation for 6,15-difluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione?
The canonical SMILES for 6,15-difluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione is CC1C2C(=O)c3cc(F)sc3C2C(C)C2C(=O)c3cc(F)sc3C12.
What is the InChIKey of 6,15-difluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione?
The InChIKey is WTJJQPFZGYWOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2O2S2/c1-5-11-14(18-7(15(11)21)3-10(20)24-18)6(2)12-13(5)17-8(16(12)22)4-9(19)23-17/h3-6,11-14H,1-2H3.
What are the key properties of 6,15-difluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione?
6,15-difluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione has a molecular weight of 364.44 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,15-difluoro-2,11-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-4(8),6,13(17),15-tetraene-9,18-dione is sourced from PubChem (CID 123783260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).